3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C18H31NO2 — CID 65090798

IUPAC3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCCC1CCCC(NC2C3CCC(C3)C2C(=O)O)CC1
InChIInChI=1S/C18H31NO2/c1-2-4-12-5-3-6-15(10-7-12)19-17-14-9-8-13(11-14)16(17)18(20)21/h12-17,19H,2-11H2,1H3,(H,20,21)
InChIKeyBUTZMAPETWLQGY-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.82
Rot. Bonds5

About 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 65090798) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID65090798
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCCC1CCCC(NC2C3CCC(C3)C2C(=O)O)CC1
InChIInChI=1S/C18H31NO2/c1-2-4-12-5-3-6-15(10-7-12)19-17-14-9-8-13(11-14)16(17)18(20)21/h12-17,19H,2-11H2,1H3,(H,20,21)
InChIKeyBUTZMAPETWLQGY-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103925600
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66674234
3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069936
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
3-(pentan-2-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069848
N-methyl-2-[(4-propylcycloheptyl)amino]acetamide
CID 65086398
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714379
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 65090798) is 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is CCCC1CCCC(NC2C3CCC(C3)C2C(=O)O)CC1.
What is the InChIKey of 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is BUTZMAPETWLQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-4-12-5-3-6-15(10-7-12)19-17-14-9-8-13(11-14)16(17)18(20)21/h12-17,19H,2-11H2,1H3,(H,20,21).
What are the key properties of 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 293.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 65090798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).